CID 4596756

899218-89-4

Structural Information

Molecular Formula
C10H7Cl3N2O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)
InChIKey
HFFXLYHRNRKAPM-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4644
Patents

339.9243 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.93158 170.4
[M+Na]+ 362.91352 182.5
[M-H]- 338.91702 176.7
[M+NH4]+ 357.95812 185.3
[M+K]+ 378.88746 177.4
[M+H-H2O]+ 322.92156 166.1
[M+HCOO]- 384.92250 174.6
[M+CH3COO]- 398.93815 204.1
[M+Na-2H]- 360.89897 171.7
[M]+ 339.92375 177.8
[M]- 339.92485 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe